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109831-82-5 | Methanimidamide, N-(4-cyano-5-isoxazolyl)-N,N-dimethyl- (9CI)
CAS No: 109831-82-5 Catalog No: AG009TUV MDL No:
Product Description
Catalog Number:
AG009TUV
Chemical Name:
Methanimidamide, N-(4-cyano-5-isoxazolyl)-N,N-dimethyl- (9CI)
CAS Number:
109831-82-5
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
N'-(4-cyano-1,2-oxazol-5-yl)-N,N-dimethylmethanimidamide
InChI:
InChI=1S/C7H8N4O/c1-11(2)5-9-7-6(3-8)4-10-12-7/h4-5H,1-2H3/b9-5+
InChI Key:
VCYOYJDOVSIAFQ-WEVVVXLNSA-N
SMILES:
CN(C=Nc1oncc1C#N)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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